1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol

C14H21NO3 — CID 117381815

IUPAC1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(OC)c2c(c1OC)CCC2
InChIInChI=1S/C14H21NO3/c1-15-8-12(16)11-7-13(17-2)9-5-4-6-10(9)14(11)18-3/h7,12,15-16H,4-6,8H2,1-3H3
InChIKeySFZXXFCACYOVSH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.45
Rot. Bonds5

About 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol

1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol (PubChem CID 117381815) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol
PubChem CID117381815
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(OC)c2c(c1OC)CCC2
InChIInChI=1S/C14H21NO3/c1-15-8-12(16)11-7-13(17-2)9-5-4-6-10(9)14(11)18-3/h7,12,15-16H,4-6,8H2,1-3H3
InChIKeySFZXXFCACYOVSH-UHFFFAOYSA-N
XLogP1.45
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanol
CID 117417580
1-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-(methylamino)ethanol
CID 117456563
methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
CID 117449915
1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117386619
1-(4-tert-butyl-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117382208
1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84782753
3-[1-hydroxy-2-(methylamino)ethyl]-4,5-dimethoxybenzaldehyde
CID 117350635
2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117415319
(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol
CID 84676076
5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol
CID 117301897
1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol
CID 117397134

Frequently Asked Questions

What is the IUPAC name of 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol (CID 117381815) is 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol is CNCC(O)c1cc(OC)c2c(c1OC)CCC2.
What is the InChIKey of 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol?
The InChIKey is SFZXXFCACYOVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15-8-12(16)11-7-13(17-2)9-5-4-6-10(9)14(11)18-3/h7,12,15-16H,4-6,8H2,1-3H3.
What are the key properties of 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol?
1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 117381815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).